(2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate

C10H12N2O7S2 — CID 167046313

IUPAC(2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate
SMILESNN(C(=O)OC1COS(=O)(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O7S2/c11-12(21(16,17)9-4-2-1-3-5-9)10(13)19-8-6-18-20(14,15)7-8/h1-5,8H,6-7,11H2
InChIKeyKGFKBIATEGSCRV-UHFFFAOYSA-N
MW336.35 g/mol
LogP-0.58
Rot. Bonds3

About (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate

(2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate (PubChem CID 167046313) has the molecular formula C10H12N2O7S2 and a molecular weight of 336.35 g/mol. Its IUPAC name is (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate.

Molecular Properties

Compound Name(2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate
PubChem CID167046313
Molecular FormulaC10H12N2O7S2
Molecular Weight336.35 g/mol
Exact Mass336.01
IUPAC Name(2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate
SMILESNN(C(=O)OC1COS(=O)(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O7S2/c11-12(21(16,17)9-4-2-1-3-5-9)10(13)19-8-6-18-20(14,15)7-8/h1-5,8H,6-7,11H2
InChIKeyKGFKBIATEGSCRV-UHFFFAOYSA-N
XLogP-0.58
TPSA133.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate
CID 167046285
(2,2-dioxooxathiolan-4-yl) N-amino-N-prop-2-ynylsulfonylcarbamate
CID 167046279
1-(benzenesulfonyl)-1-carbamoylurea
CID 70230141
[(3S,4S)-4-(benzenesulfonyloxy)-1,1-dioxothiolan-3-yl] benzenesulfonate
CID 98117157
benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
CID 100967511
[benzenesulfonyl(methyl)amino]urea
CID 172749121
(1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate
CID 167046399
N-(benzenesulfonyl)-4-nitrobenzohydrazide
CID 53437534
ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
CID 54135692
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 47130910
ethyl N-amino-N-[4-[4-[amino(ethoxycarbonyl)sulfamoyl]phenoxy]phenyl]sulfonylcarbamate
CID 54547701
1-(benzenesulfonyl)-1-phenoxyurea
CID 54187275

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate?
The IUPAC name of (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate (CID 167046313) is (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate.
What is the SMILES notation for (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate?
The canonical SMILES for (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate is NN(C(=O)OC1COS(=O)(=O)C1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate?
The InChIKey is KGFKBIATEGSCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O7S2/c11-12(21(16,17)9-4-2-1-3-5-9)10(13)19-8-6-18-20(14,15)7-8/h1-5,8H,6-7,11H2.
What are the key properties of (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate?
(2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate has a molecular weight of 336.35 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate is sourced from PubChem (CID 167046313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).